2-Bromo-1-(phenylsulphonyl)-1H-indole

Basic Information

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CAS Number

121963-39-1

Molecular Formula

C14H10BrNO2S

Molecular Weight

336.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2Br

InChI

InChI=1S/C14H10BrNO2S/c15-14-10-11-6-4-5-9-13(11)16(14)19(17,18)12-7-2-1-3-8-12/h1-10H

InChIKey

DILGYNXRWCVNEV-UHFFFAOYSA-N

LogP

3.6408000000000014

Topological Polar Surface Area

39.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

414

Synonyms & References

English

1-(benzenesulfonyl)-2-bromoindole
CTK0C3322
OR3700
ACMC-20ev6o
AGN-PC-001CRC
1H-Indole, 2-bromo-1-(phenylsulfonyl)-
N-phenylsulfonyl-2-bromoindole
SureCN423718
2-bromo-1-(benzenesulfonyl)indole
2-bromo-1-(phenylsulfonyl)indole
2-Bromo-1-(phenylsulphonyl)-1H-indole
2-Bromo-1-(phenylsulfonyl)-1H-indole
DTXSID50559997
MFCD03840601
121963-39-1
1-Phenylsulfonyl-2-bromoindole
CS-0442606
2-bromo-1-(phenylsulfonyl)-1h-indole
1-(Benzenesulfonyl)-2-bromo-1H-indole
WEA96339
DB-364675
SCHEMBL423718

MDL Number

MFCD03840601

FAQ

What are the physical and chemical properties of 2-Bromo-1-(phenylsulphonyl)-1H-indole (CAS: 121963-39-1)?

2-Bromo-1-(phenylsulphonyl)-1H-indole is a solid compound with a molecular weight of approximately 311.23 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive towards nucleophiles and can undergo substitution reactions.

How is 2-Bromo-1-(phenylsulphonyl)-1H-indole (CAS: 121963-39-1) typically synthesized?

2-Bromo-1-(phenylsulphonyl)-1H-indole is typically synthesized by bromination of 1-(phenylsulphonyl)-1H-indole using N-bromosuccinimide (NBS) in the presence of an organic solvent like acetonitrile. The reaction is conducted under light or heat to achieve a high yield of the target compound.

What industries use 2-Bromo-1-(phenylsulphonyl)-1H-indole (CAS: 121963-39-1)?

2-Bromo-1-(phenylsulphonyl)-1H-indole is primarily used in the pharmaceutical industry for the synthesis of various drugs. It also has applications in the polymer industry for functionalizing polymers and in the sensor industry for developing chemical sensors.

What precautions should be taken when handling 2-Bromo-1-(phenylsulphonyl)-1H-indole (CAS: 121963-39-1)?

When handling 2-Bromo-1-(phenylsulphonyl)-1H-indole, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work in a fume hood to minimize exposure to bromine fumes. In case of a spill, use appropriate absorbent materials and follow the safety data sheet (SDS) for disposal instructions.